HMDB0288087 RDKit 3D PC(22:3(10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)-OH(17)) 150149 0 0 0 0 0 0 0 0999 V2000 -4.2772 -6.9856 -2.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6973 -5.5242 -2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0324 -4.7683 -3.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -3.3305 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -2.4713 -4.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3298 -2.4737 -4.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 -1.6270 -5.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 -0.5349 -5.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 -0.0285 -4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 1.2955 -3.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6786 2.3872 -3.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8046 2.4410 -3.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 3.3199 -4.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 4.4491 -4.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 4.9415 -3.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 5.1500 -3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4033 3.8613 -3.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8741 4.0847 -3.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6874 2.8068 -3.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3858 1.8227 -2.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2543 0.5870 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 -0.4326 -1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 -0.8341 -1.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8951 -0.8011 -2.9266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7512 -1.2537 -0.7174 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 -1.6393 -0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.8668 0.4098 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4602 -2.6468 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6374 -3.8262 -0.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0774 -4.5968 -0.3448 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0103 -5.5174 -1.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0465 -3.3201 -0.7019 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.1581 -5.3353 0.9638 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 -5.9440 2.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7373 -6.1359 2.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -6.8324 4.1712 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0053 -7.1751 4.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 -8.0739 4.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 -6.0546 5.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 -0.6957 1.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 -0.4976 2.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 -1.3829 2.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 0.7642 3.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 0.5676 4.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5131 1.6943 4.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2072 2.9536 4.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 3.6071 4.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 3.1412 5.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3154 3.1314 4.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 2.0312 4.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6224 0.6636 4.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -0.2745 3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 -0.1319 2.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1619 1.1540 1.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5267 0.9172 1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8684 1.2033 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0323 1.7933 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6816 3.1295 -1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8135 3.6567 -2.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 4.0483 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3909 5.3735 -0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 6.1920 -1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -7.1827 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1793 -7.6209 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7758 -7.1637 -3.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8098 -5.4038 -2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3393 -5.0234 -1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 -5.1572 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9116 -4.8318 -3.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1935 -2.9032 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5765 -3.3047 -3.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1324 -2.8516 -5.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 -1.4356 -4.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 -3.5599 -4.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -2.1970 -3.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -1.9557 -6.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 0.0094 -6.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -0.6521 -3.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 -0.0932 -3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 1.2730 -3.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 3.3695 -3.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 1.4564 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 2.7850 -2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 2.9747 -5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 5.0463 -5.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 4.3112 -2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 5.9621 -3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9222 5.4913 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 5.9211 -3.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 3.4419 -4.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1091 3.0799 -2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1291 4.7344 -4.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 4.5725 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 2.3770 -4.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7577 3.1357 -3.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 2.3104 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 1.4987 -2.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 0.9003 -2.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0883 0.1879 -3.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5632 -1.3250 -1.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2104 -0.0084 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8385 -0.9397 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 -2.6529 -1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 -2.5259 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 -2.0433 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -2.9928 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -7.0229 1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 -5.5119 2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 -6.6479 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 -5.1189 3.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -7.7492 5.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 -7.8645 3.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 -6.2870 4.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 -8.5338 5.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 -7.8287 4.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -8.7121 3.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 -4.9815 5.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 -6.3975 6.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 -6.1591 5.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 0.8752 3.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 1.6450 2.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.4110 4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9691 0.3904 3.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 1.8534 5.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7749 1.3103 5.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 3.4116 3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 4.5488 3.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8754 2.1994 5.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 3.9887 6.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 4.1231 4.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0144 2.2399 4.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.5550 5.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 0.1668 5.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 -1.3161 3.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 -1.0075 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0463 2.0564 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 1.2237 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 0.4780 1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9093 0.9716 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 2.0316 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1484 1.1440 -2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6809 2.9437 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 3.7650 -2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 3.5630 0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7285 4.2368 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4608 5.1570 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4409 5.9981 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 7.2896 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 5.9679 -1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 6.0664 -2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 26102 1 0 26103 1 0 27104 1 1 28105 1 0 28106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 37111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 39119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 59143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 32 -1 36 1 M END